N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide

C22H27N3O6S2 — CID 43900265

IUPACN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H27N3O6S2/c1-17-15-18-5-3-4-6-21(18)25(17)22(26)16-24(32(2,27)28)19-7-9-20(10-8-19)33(29,30)23-11-13-31-14-12-23/h3-10,17H,11-16H2,1-2H3
InChIKeyPGVXTCAZDMCXCC-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.45
Rot. Bonds6

About N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide

N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide (PubChem CID 43900265) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
PubChem CID43900265
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H27N3O6S2/c1-17-15-18-5-3-4-6-21(18)25(17)22(26)16-24(32(2,27)28)19-7-9-20(10-8-19)33(29,30)23-11-13-31-14-12-23/h3-10,17H,11-16H2,1-2H3
InChIKeyPGVXTCAZDMCXCC-UHFFFAOYSA-N
XLogP1.45
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331117
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 30256622
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 30256714
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2372444
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53298160
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157883
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3173784
N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 124560578
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 92710873

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide (CID 43900265) is N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide is CC1Cc2ccccc2N1C(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide?
The InChIKey is PGVXTCAZDMCXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c1-17-15-18-5-3-4-6-21(18)25(17)22(26)16-24(32(2,27)28)19-7-9-20(10-8-19)33(29,30)23-11-13-31-14-12-23/h3-10,17H,11-16H2,1-2H3.
What are the key properties of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide?
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide has a molecular weight of 493.61 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 43900265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).